(Q33273270)

25 July 2017

title

TrixX: structure-based molecule indexing for large-scale virtual screening in sublinear time (English)

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25 July 2017

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Matthias Rarey

2

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author name string

Ingo Schellhammer

series ordinal

1

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25 July 2017

publication date

9 February 2007

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Journal of Computer - Aided Molecular Design

25 July 2017

published in

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25 July 2017

volume

21

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25 July 2017

issue

5

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25 July 2017

page(s)

223-238

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Pharmacophore features distributions in different classes of compounds.

25 July 2017

cites work

1 reference

12 December 2020

The FlexX database docking environment--rational extraction of receptor based pharmacophores

1 reference

12 December 2020

On the structure selectivity problem in drug design. A comparative study of benzylpyrimidine inhibition of vertebrate and bacterial dihydrofolate reductase via molecular graphics and quantitative structure-activity relationships

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Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

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Screening a peptidyl database for potential ligands to proteins with side-chain flexibility

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12 December 2020

FlexX-Scan: fast, structure-based virtual screening

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12 December 2020

An extensive test of 14 scoring functions using the PDBbind refined set of 800 protein-ligand complexes.

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12 December 2020

Flexible ligand docking using conformational ensembles

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12 December 2020

Flexible docking under pharmacophore type constraints

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12 December 2020

Pharmacophore-based molecular docking to account for ligand flexibility

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12 December 2020

A geometric approach to macromolecule-ligand interactions

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12 December 2020

CombiDOCK: structure-based combinatorial docking and library design

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12 December 2020

Structure-based design and protein X-ray analysis of a protein kinase inhibitor

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12 December 2020

Exploring biology with small organic molecules

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12 December 2020

Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors

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12 December 2020

New 4-point pharmacophore method for molecular similarity and diversity applications: overview of the method and applications, including a novel approach to the design of combinatorial libraries containing privileged substructures

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12 December 2020

Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking

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12 December 2020

Docking and scoring in virtual screening for drug discovery: methods and applications

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12 December 2020

Fast 3D molecular superposition and similarity search in databases of flexible molecules

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12 December 2020

Integration of virtual and high-throughput screening

1 reference

12 December 2020

Docking molecules by families to increase the diversity of hits in database screens: computational strategy and experimental evaluation

1 reference

12 December 2020

Deciphering common failures in molecular docking of ligand-protein complexes.

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12 December 2020

HierVLS hierarchical docking protocol for virtual ligand screening of large-molecule databases.

1 reference

12 December 2020

Fuzzy pharmacophore models from molecular alignments for correlation-vector-based virtual screening

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12 December 2020

Crystal structure of the human angiotensin-converting enzyme-lisinopril complex

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12 December 2020

High-throughput and virtual screening: core lead discovery technologies move towards integration

1 reference

12 December 2020

Comparative evaluation of 11 scoring functions for molecular docking

1 reference

12 December 2020

Detailed analysis of scoring functions for virtual screening

1 reference

12 December 2020

Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate

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12 December 2020

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00057A005

10.1007/S10822-007-9103-5

11 September 2021

Identifiers

DOI

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journals/jcamd/SchellhammerR07

25 July 2017

DBLP publication ID

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DBLP Dataset 2021-01-02

28 January 2021

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